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Record Information
Version	2.0
Creation Date	2015-06-08 15:03:05 -0600
Update Date	2015-08-05 16:22:05 -0600
Secondary Accession Numbers	ECMDB23854
Identification
Name:	Phosphoprotein
Description	Protein which is posttranslationally modified by the attachment of either a single phosphate group, or of a complex molecule, such as 5'-phospho-DNA, through a phosphate group. Target amino acid is usually serine, threonine or tyrosine residues (mostly in eukaryotes), aspartic acid or histidine residues (mostly in prokaryotes).
Structure	MOLSDF3D-SDFPDBSMILESInChI View 3D Structure × Structure for #<Compound:0x6a3b9998> Close
Synonyms:	(1S,2S,5R)-(+)-Neomenthol (1S,2S,5R)-2-Isopropyl-5-methylcyclohexanol (1S,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexan-1-ol (1S,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanol D-Neomenthol FEMA 2666
Chemical Formula:	C10H20O
Weight:	Average: 156.2652 Monoisotopic: 156.151415262
InChI Key:	NOOLISFMXDJSKH-UTLUCORTSA-N
InChI:	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
CAS number:	Not Available
IUPAC Name:	(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
Traditional IUPAC Name:	(+)-neomenthol
SMILES:	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
Kingdom	Organic compounds
Super Class	Lipids and lipid-like molecules
Class	Prenol lipids
Sub Class	Monoterpenoids
Direct Parent	Menthane monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Cyclohexanols Cyclic alcohols and derivatives Hydrocarbon derivatives
Substituents	P-menthane monoterpenoid Monocyclic monoterpenoid Cyclohexanol Cyclic alcohol Secondary alcohol Organic oxygen compound Hydrocarbon derivative Organooxygen compound Alcohol Aliphatic homomonocyclic compound
Molecular Framework	Aliphatic homomonocyclic compounds
External Descriptors	p-menthan-3-ol (CHEBI:15402 ) Menthane monoterpenoids (C00553 ) Cyclic monoterpenes (C00553 ) Menthane monoterpenoids (LMPR0102090003 )
Physical Properties
State:	Not Available
Charge:	0
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 0.56 g/L ALOGPS logP 2.68 ALOGPS logP 2.66 ChemAxon logS -2.5 ALOGPS pKa (Strongest Acidic) 19.55 ChemAxon pKa (Strongest Basic) -0.81 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 1 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 20.23 Ų ChemAxon Rotatable Bond Count 1 ChemAxon Refractivity 47.45 m³·mol⁻¹ ChemAxon Polarizability 19.4 ų ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	Adenosine triphosphate + Protein <> ADP + Phosphoprotein
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive splash10-052f-9500000000-a610fe2868ba87b759ee View in MoNA Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive splash10-01w0-9520000000-26cc8cab97979ec9fb4d View in MoNA Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-052r-0900000000-fc39fb91c62eb627e3af View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-052r-5900000000-839aa9da0c06f6d09968 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0avi-9200000000-e9b33e704445c7e908ec View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0a4i-0900000000-3a700dc611fb070e6b45 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0a4i-0900000000-5a80eb79e919e06fa63a View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-0bti-7900000000-67a39bf95581e52cb931 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-05mk-9800000000-bb8a9e58bdc61e2654e6 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-053e-9100000000-6405f7fe35f6f6bdc8c5 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0006-9000000000-fee5c7d55bf523973cbf View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0a4i-0900000000-f6034c6a8245c68a37ac View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0a4i-0900000000-7efa42d43b7858e2c2ce View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-0zfr-0900000000-b6eef0a7f66ac7e97e78 View in MoNA 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 15402 HMDB ID HMDB0035763 Pubchem Compound ID 439263 Kegg ID C00562 ChemSpider ID 388397 Wikipedia ID Not Available BioCyc ID Not Available